PC-Compounds ::= {
  {
    id {
      id cid 10430
    },
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        2,
        3,
        4,
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        6,
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        10,
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        h,
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      }
    },
    bonds {
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        2,
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        3,
        3,
        3,
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      },
      order {
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        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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      }
    },
    coords {
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        type {
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        },
        aid {
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          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17
        },
        conformers {
          {
            x {
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              { -20917, 10, -4 },
              { 11977, 10, -4 },
              { 376, 10, -4 },
              { 11993, 10, -4 },
              { 25472, 10, -4 },
              { -13138, 10, -4 },
              { 10666, 10, -4 },
              { 218, 10, -4 },
              { 1619, 10, -4 },
              { 2897, 10, -4 },
              { 12781, 10, -4 },
              { 20472, 10, -4 },
              { 27415, 10, -4 },
              { 33646, 10, -4 },
              { 25689, 10, -4 },
              { -24562, 10, -4 }
            },
            y {
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              { 7023, 10, -4 },
              { -133, 10, -3 },
              { -4874, 10, -4 },
              { 13697, 10, -4 },
              { -5476, 10, -4 },
              { -997, 10, -4 },
              { -6623, 10, -4 },
              { -15626, 10, -4 },
              { 223, 10, -4 },
              { 16811, 10, -4 },
              { 19527, 10, -4 },
              { 16389, 10, -4 },
              { -313, 10, -4 },
              { -3128, 10, -4 },
              { -16256, 10, -4 },
              { -5827, 10, -4 }
            },
            z {
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              { 2549, 10, -4 },
              { -6882, 10, -4 },
              { 5424, 10, -4 },
              { -3373, 10, -4 },
              { -136, 10, -3 },
              { 12068, 10, -4 },
              { -9025, 10, -4 },
              { -16518, 10, -4 },
              { 10657, 10, -4 },
              { -3817, 10, -4 },
              { 11819, 10, -4 },
              { -12836, 10, -4 },
              { 3526, 10, -4 },
              { -5287, 10, -4 },
              { 13675, 10, -4 }
            },
            data {
              {
                urn {
                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "000028BE00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 51758, 10, -4 }
              },
              {
                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 20354, 10, -3 }
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              {
                urn {
                  label "Fingerprint",
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
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                  "5084963 1 17560793359682168607",
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              },
              {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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                  { 111, 10, -2 },
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              },
              {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 23949, 10, -2 }
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              {
                urn {
                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 858, 10, -1 }
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        data {
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          {
            urn {
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            value ivec {
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            }
          }
        }
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    props {
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        urn {
          label "Charge",
          name "MMFF94 Partial",
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          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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        }
      },
      {
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          release "2012.01.18"
        },
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      {
        urn {
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 2 acceptor",
          "3 1 2 7 anion",
          "3 3 5 6 hydrophobe"
        }
      }
    },
    count {
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      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}